SCHEMBL19249384

SCHEMBL19249384

Cc1[nH]c2cc(F)cnc2c1Cc1ccc(S(=O)(=O)N(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.48
▸ PTGS1 P23219 4/20 0.48
▸ SLC2A1 P11166 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ TTK P33981 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ TBXAS1 P24557 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19249657 0.80 PTGS1 (0.45) PTGS2PTGS1LMNASMN1; SMN2LOXL2
SCHEMBL19249472 0.76 PTGS1 (0.45) PTGS2PTGS1LMNASMN1; SMN2MAPT
SCHEMBL19212556 0.74 PTGS2 (0.46) PTGS2PTGS1LMNAMAPTALDH1A1
SCHEMBL19249403 0.73 PTGS1 (0.38) PTGS2PTGS1LMNASMN1; SMN2LOXL2
SCHEMBL29595303 0.72 MAPT (0.52) PTGS2PTGS1SMN1; SMN2MAPTALDH1A1
SCHEMBL19249695 0.72 MAPT (0.52) PTGS2PTGS1SMN1; SMN2MAPTALDH1A1
SCHEMBL20915459 0.69 LOXL2 (0.54) LOXL2
SCHEMBL19249661 0.69 LOXL2 (0.54) LOXL2
SCHEMBL19212538 0.68 NPC1 (0.36) LMNASMN1; SMN2LOXL2ALDH1A1RAB9A
SCHEMBL20489234 0.68 LMNA (0.56) LMNASMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017136871-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2017-08-17 — — WO disclosed
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